Benzenesulfonic acid, 2-[[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]azo]-5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium salt
CAS Registry Number®
94158-83-5
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CAS Name
Benzenesulfonic acid, 2-[[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]azo]-5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium saltMolecular Formula
C21H28N6O11S3.xNaCite this Page
Benzenesulfonic acid, 2-[[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]azo]-5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94158-83-5 (retrieved ) (CAS RN: 94158-83-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H28N6O11S3.Na/c1-14-16(13-22)20(23-6-2-8-28)25-21(24-7-3-9-29)19(14)27-26-17-5-4-15(12-18(17)40(32,33)34)39(30,31)11-10-38-41(35,36)37;/h4-5,12,28-29H,2-3,6-11H2,1H3,(H2,23,24,25)(H,32,33,34)(H,35,36,37);
InChIKey
InChIKey=PJUOLRIIOYHQHD-UHFFFAOYSA-N
SMILES
N(=NC1=C(S(=O)(=O)O)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C1)C2=C(NCCCO)N=C(NCCCO)C(C#N)=C2C.[Na]
Canonical SMILES
[Na].N#CC1=C(N=C(NCCCO)C(N=NC2=CC=C(C=C2S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)=C1C)NCCCO
Other Names for this Substance
- Benzenesulfonic acid, 2-[[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]azo]-5-[[2-(sulfooxy)ethyl]sulfonyl]-, sodium salt
